(3S)-N-(4-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(4-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(4-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(4-fluorophenyl)-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(4-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: (4-fluorophenyl)-[(3S)-1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]amine Formula: C20H23FN5+ MolecularWeight: 352.428523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=NC=CC=N3)NC4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2C3=NC=CC=N3)NC4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FN5/c21-16-6-8-17(9-7-16)24-18-4-1-12-25(14-18)15-19-5-2-13-26(19)20-22-10-3-11-23-20/h2-3,5-11,13,18,24H,1,4,12,14-15H2/p+1/t18-/m0/s1